6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid

C13H19N3O2 — CID 114132746

IUPAC6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
SMILESCC(CNc1ccc(C(=O)O)cn1)N(C)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9(16(2)11-4-5-11)7-14-12-6-3-10(8-15-12)13(17)18/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyNKVWTSOPFLXVIG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.67
Rot. Bonds6

About 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid

6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid (PubChem CID 114132746) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
PubChem CID114132746
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
SMILESCC(CNc1ccc(C(=O)O)cn1)N(C)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9(16(2)11-4-5-11)7-14-12-6-3-10(8-15-12)13(17)18/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyNKVWTSOPFLXVIG-UHFFFAOYSA-N
XLogP1.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
CID 114214864
6-[2-[cyclopropyl(methyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 103718448
6-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-3-carboxamide
CID 115623811
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)pyridine-4-carboxamide
CID 103738168
N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide
CID 62178480
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
CID 61404521
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid (CID 114132746) is 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid is CC(CNc1ccc(C(=O)O)cn1)N(C)C1CC1.
What is the InChIKey of 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid?
The InChIKey is NKVWTSOPFLXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(16(2)11-4-5-11)7-14-12-6-3-10(8-15-12)13(17)18/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid?
6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114132746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).